N-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide

C13H15ClN2O — CID 103908930

IUPACN-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide
SMILESC#CCCCCC(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C13H15ClN2O/c1-3-4-5-6-7-12(17)16-11-8-10(2)13(14)15-9-11/h1,8-9H,4-7H2,2H3,(H,16,17)
InChIKeyAFLLAGVYPOXEPL-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.18
Rot. Bonds5

About N-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide

N-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide (PubChem CID 103908930) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide
PubChem CID103908930
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide
SMILESC#CCCCCC(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C13H15ClN2O/c1-3-4-5-6-7-12(17)16-11-8-10(2)13(14)15-9-11/h1,8-9H,4-7H2,2H3,(H,16,17)
InChIKeyAFLLAGVYPOXEPL-UHFFFAOYSA-N
XLogP3.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butanamide
CID 103811529
N-(6-chloro-5-methyl-3-pyridinyl)pent-4-enamide
CID 103730487
N-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide
CID 103730322
N-(6-chloro-5-methyl-3-pyridinyl)-3-cyclopentylpropanamide
CID 103730306
N-(2-methyl-4-pyridinyl)hept-6-ynamide
CID 123868405
4-amino-N-(6-chloro-5-methyl-3-pyridinyl)-4-methylpentanamide
CID 103811545
N-(6-chloro-5-methyl-3-pyridinyl)-3,3-dimethylbutanamide
CID 103730445
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyclohexylacetamide
CID 103730501
5-[(6-chloro-5-methyl-3-pyridinyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 114049207
N-(6-chloro-5-methyl-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103730378
N-(6-chloro-5-methyl-3-pyridinyl)-2-(3-chlorophenyl)acetamide
CID 103745271
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbutanamide
CID 103730347

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide (CID 103908930) is N-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide is C#CCCCCC(=O)Nc1cnc(Cl)c(C)c1.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide?
The InChIKey is AFLLAGVYPOXEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-3-4-5-6-7-12(17)16-11-8-10(2)13(14)15-9-11/h1,8-9H,4-7H2,2H3,(H,16,17).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide?
N-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide has a molecular weight of 250.73 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)hept-6-ynamide is sourced from PubChem (CID 103908930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).